CAS No.4467-07-6,3-PYRID-2-YLBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4467-07-6
Name:	3-PYRID-2-YLBENZOIC ACID
Article Data:	9

Formula:	C₁₂H₉NO₂
Molecular Weight:	199.209
Synonyms:	3-Pyridin-2-yl-benzoic acid;3-(3-Methoxypyridin-2-yl)benzoic acid;3-(3-Fluoropyridin-2-yl)benzoic acid;3-(3-Cyanopyridin-2-yl)benzoic acid;
Density:	1.241 g/cm³
Melting Point:	207 °C
Boiling Point:	409 °C at 760 mmHg
Flash Point:	201.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	50.19000
LogP:	2.44680

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Specification

The CAS register number of 3-Pyridin-2-ylbenzoate is 4467-07-6. It also can be called as 3-(3-Fluoropyridin-2-yl)benzoic acid and the systematic name about this chemical is 3-Pyridin-2-ylbenzoic acid. The molecular formula about this chemical is C₁₂H₉NO₂ and the molecular weight is 199.21. It belongs to the following product category which includes API intermediates. This chemical is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

Physical properties about 3-Pyridin-2-ylbenzoate are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): -0.5; (4)ACD/BCF (pH 5.5): 1.06; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.44; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.86 cm³; (14)Molar Volume: 160.4 cm³; (15)Polarizability: 22.14x10^-24cm³; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 201.1 °C; (19)Enthalpy of Vaporization: 69.71 kJ/mol; (20)Boiling Point: 409 °C at 760 mmHg; (21)Vapour Pressure: 2.01E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1)c2ncccc2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
(3)InChIKey: IRXFQXMHMRTLIR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
(5)Std. InChIKey: IRXFQXMHMRTLIR-UHFFFAOYSA-N